#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp n ASP 2 N 0.00 0.00 -4.50 1.61 8.00 -1.26 -5.00 116.55 115.41 2kcp n ASP 2 Ca 0.00 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 2kcp n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2kcp n ASP 2 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kcp s ARG 3 N 2.13 3.93 0.15 -1.24 3.00 -1.26 -4.97 118.95 120.69 2kcp s ARG 3 Ca 0.00 -2.15 0.09 0.00 0.00 0.00 0.00 55.73 53.68 2kcp s ARG 3 Cb 0.00 -5.19 -0.04 0.00 0.00 0.00 0.00 34.95 29.72 2kcp s ARG 3 CO 0.00 -1.94 -0.21 1.03 0.00 0.00 0.00 175.30 174.18 2kcp s ARG 4 N 2.78 1.30 -0.16 3.54 3.00 -1.26 -4.83 118.95 123.32 2kcp s ARG 4 Ca 0.44 -1.36 0.00 0.00 0.00 0.00 0.00 55.73 54.81 2kcp s ARG 4 Cb -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 34.95 33.42 2kcp s ARG 4 CO -0.01 0.33 0.00 1.33 0.00 0.00 0.00 175.30 176.96 2kcp n VAL 5 N 0.57 0.00 1.81 3.52 0.24 -1.26 -4.72 118.33 118.49 2kcp n VAL 5 Ca -0.15 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.30 2kcp n VAL 5 Cb 0.55 -0.51 0.82 0.00 -1.47 0.00 0.00 33.84 33.23 2kcp n VAL 5 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp n ARG 6 N 0.11 1.09 -0.03 7.34 1.74 -1.26 -3.67 116.66 121.98 2kcp n ARG 6 Ca -0.01 -0.23 0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2kcp n ARG 6 Cb 0.23 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.73 2kcp n ARG 6 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kcp n LEU 7 N -0.75 1.05 -4.58 0.55 4.32 -1.26 -4.78 117.00 111.54 2kcp n LEU 7 Ca 0.22 -0.39 -0.39 0.00 -0.02 0.00 0.00 56.01 55.42 2kcp n LEU 7 Cb 0.18 -0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 41.85 2kcp n LEU 7 CO 0.18 0.20 -0.06 -0.51 -1.22 0.00 0.00 177.39 175.99 2kcp s ILE 8 N -1.93 5.24 0.08 -0.08 2.07 -1.24 -5.08 121.20 120.25 2kcp s ILE 8 Ca 0.36 0.25 0.08 0.00 -1.41 0.00 0.00 60.65 59.94 2kcp s ILE 8 Cb 0.19 -3.65 -0.04 0.00 0.13 0.00 0.00 42.46 39.09 2kcp s ILE 8 CO 0.30 0.14 -0.20 -0.13 -1.91 0.00 0.00 174.94 173.14 2kcp s ARG 9 N 1.90 1.86 0.59 3.50 0.52 -1.26 -5.15 118.95 120.91 2kcp s ARG 9 Ca 0.10 -1.11 0.09 0.00 -0.52 0.00 0.00 55.73 54.29 2kcp s ARG 9 Cb -0.16 -2.10 0.09 0.00 0.52 0.00 0.00 34.95 33.29 2kcp s ARG 9 CO 0.11 0.51 0.74 -0.08 0.02 0.00 0.00 175.30 176.59 2kcp s THR 10 N -1.00 1.94 0.12 0.02 -1.32 -1.26 -5.04 115.64 109.09 2kcp s THR 10 Ca 0.15 -1.10 0.03 0.00 -1.21 0.00 0.00 61.69 59.56 2kcp s THR 10 Cb -0.10 -2.03 -0.22 0.00 -1.51 0.00 0.00 72.50 68.63 2kcp s THR 10 CO 0.07 0.00 1.26 -0.09 -2.21 0.00 0.00 174.62 173.64 2kcp h ARG 11 N 0.23 0.12 -0.52 7.08 9.65 -2.08 -3.48 114.38 125.38 2kcp h ARG 11 Ca -0.30 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2kcp h ARG 11 Cb 1.29 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 2kcp h ARG 11 CO 0.43 1.06 0.00 0.41 2.80 0.00 0.00 179.97 184.67 2kcp n GLY 12 N 1.31 0.98 3.75 2.80 0.00 -1.26 -5.05 105.19 107.72 2kcp n GLY 12 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2kcp n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcp s GLY 13 N -2.53 2.83 -0.15 -0.02 0.00 -1.26 -5.04 107.32 101.15 2kcp s GLY 13 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 2kcp s GLY 13 CO 0.00 1.75 0.33 0.21 0.00 0.00 0.00 173.10 175.38 2kcp s ASN 14 N -0.26 -0.11 -0.21 1.64 3.84 -1.26 -5.14 114.94 113.44 2kcp s ASN 14 Ca 0.50 0.74 -0.28 0.00 0.21 0.00 0.00 52.86 54.03 2kcp s ASN 14 Cb -0.33 0.81 0.00 0.00 -0.55 0.00 0.00 41.25 41.18 2kcp s ASN 14 CO 0.40 -0.21 0.96 -0.89 -2.79 0.00 0.00 177.10 174.56 2kcp s THR 15 N 1.99 4.76 0.57 -5.21 2.01 -1.26 -5.05 115.64 113.45 2kcp s THR 15 Ca -0.04 1.87 -0.01 0.00 0.31 0.00 0.00 61.69 63.82 2kcp s THR 15 Cb -0.11 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.19 2kcp s THR 15 CO -0.10 -0.10 0.82 -0.54 -0.69 0.00 0.00 174.62 174.00 2kcp s LYS 16 N 2.82 2.54 0.34 4.92 1.02 -1.26 -5.12 119.74 125.00 2kcp s LYS 16 Ca 0.42 -0.62 0.09 0.00 0.02 0.00 0.00 55.97 55.88 2kcp s LYS 16 Cb -0.16 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.67 2kcp s LYS 16 CO 0.09 -0.77 -0.04 0.54 -0.92 0.00 0.00 175.35 174.25 2kcp s VAL 17 N -2.85 2.42 1.23 3.17 0.11 -1.26 -5.14 120.40 118.09 2kcp s VAL 17 Ca 0.57 -2.08 -0.14 0.00 -2.93 0.00 0.00 61.98 57.39 2kcp s VAL 17 Cb -0.10 -2.73 0.31 0.00 -1.53 0.00 0.00 36.38 32.33 2kcp s VAL 17 CO 0.40 -0.19 1.00 -0.13 -3.33 0.00 0.00 175.10 172.85 2kcp s ARG 18 N -3.67 -1.44 0.00 1.54 0.52 -1.26 -4.82 118.95 109.83 2kcp s ARG 18 Ca 0.34 0.74 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 2kcp s ARG 18 Cb 0.01 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 33.98 2kcp s ARG 18 CO 0.18 -4.05 0.95 1.47 0.02 0.00 0.00 175.30 173.87 2kcp n LEU 19 N -5.13 0.00 0.18 2.53 -0.00 -1.26 -2.10 117.00 111.22 2kcp n LEU 19 Ca 0.03 0.45 0.18 0.00 -0.00 0.00 0.00 56.01 56.68 2kcp n LEU 19 Cb 0.55 -0.45 0.78 0.00 -0.00 0.00 0.00 43.42 44.30 2kcp n LEU 19 CO 0.56 -0.45 1.16 0.00 -0.00 0.00 0.00 177.39 178.66 2kcp h ALA 20 N 1.86 1.83 0.00 1.47 0.00 -2.04 -2.79 119.26 119.59 2kcp h ALA 20 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2kcp h ALA 20 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2kcp h ALA 20 CO 0.00 -0.51 -1.87 0.45 0.00 0.00 0.00 179.25 177.33 2kcp n SER 21 N -3.47 2.57 -3.73 0.00 2.88 -0.89 -5.00 113.62 105.99 2kcp n SER 21 Ca 0.04 -0.06 -0.24 0.00 -1.33 0.00 0.00 58.87 57.28 2kcp n SER 21 Cb 0.50 0.05 -0.17 0.00 -0.75 0.00 0.00 64.21 63.84 2kcp n SER 21 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kcp s ASP 22 N -5.22 1.96 -0.31 -3.46 2.15 -1.05 -5.12 116.67 105.62 2kcp s ASP 22 Ca -0.17 -0.31 -0.06 0.00 0.43 0.00 0.00 52.55 52.44 2kcp s ASP 22 Cb 0.05 -0.42 0.03 0.00 -0.30 0.00 0.00 42.92 42.28 2kcp s ASP 22 CO 0.40 -0.25 0.07 0.42 -0.17 0.00 0.00 175.17 175.64 2kcp s THR 23 N 1.99 3.72 0.04 1.71 -4.23 -1.25 -4.14 115.64 113.47 2kcp s THR 23 Ca 0.03 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 2kcp s THR 23 Cb -0.14 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 2kcp s THR 23 CO -0.06 -0.04 0.12 -0.13 -0.54 0.00 0.00 174.62 173.98 2kcp s ARG 24 N 1.42 0.64 -0.03 3.99 0.52 -1.26 -1.40 118.95 122.83 2kcp s ARG 24 Ca -0.00 -0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 54.37 2kcp s ARG 24 Cb -0.18 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.55 2kcp s ARG 24 CO 0.02 -0.17 0.18 -1.50 0.02 0.00 0.00 175.30 173.84 2kcp s ILE 25 N -2.79 0.05 -0.64 1.52 2.07 0.17 -4.64 121.20 116.95 2kcp s ILE 25 Ca -0.03 -0.39 -0.28 0.00 -1.41 0.00 0.00 60.65 58.55 2kcp s ILE 25 Cb -0.00 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 42.23 2kcp s ILE 25 CO -0.05 -0.21 1.21 0.20 -1.91 0.00 0.00 174.94 174.18 2kcp s ASN 26 N -0.76 6.34 -0.25 4.50 0.02 0.54 -0.89 114.94 124.43 2kcp s ASN 26 Ca -0.09 -0.13 -0.15 0.00 -1.02 0.00 0.00 52.86 51.48 2kcp s ASN 26 Cb -0.05 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 2kcp s ASN 26 CO 0.01 -1.61 0.38 -0.69 0.02 0.00 0.00 177.10 175.21 2kcp s VAL 27 N 5.20 5.19 -0.39 1.60 1.01 0.28 -0.90 120.40 132.39 2kcp s VAL 27 Ca 0.39 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 2kcp s VAL 27 Cb -0.08 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kcp s VAL 27 CO 0.21 0.19 0.51 -0.69 0.00 0.00 0.00 175.10 175.32 2kcp s VAL 28 N 1.80 5.01 -0.20 2.92 1.01 0.98 0.47 120.40 132.39 2kcp s VAL 28 Ca 0.16 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 2kcp s VAL 28 Cb -0.15 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2kcp s VAL 28 CO 0.09 -0.36 1.33 -0.62 0.00 0.00 0.00 175.10 175.54 2kcp s ASP 29 N 1.83 6.80 0.11 3.32 2.15 -0.02 -0.94 116.67 129.92 2kcp s ASP 29 Ca 0.17 1.60 0.25 0.00 0.43 0.00 0.00 52.55 55.00 2kcp s ASP 29 Cb -0.16 -2.54 0.96 0.00 -0.30 0.00 0.00 42.92 40.88 2kcp s ASP 29 CO 0.15 -0.90 1.77 -0.81 -0.17 0.00 0.00 175.17 175.21 2kcp n PRO 30 N 6.93 0.12 0.03 4.34 -0.04 -1.26 -0.22 135.00 144.90 2kcp n PRO 30 Ca 0.15 0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.58 2kcp n PRO 30 Cb 0.45 -1.66 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 2kcp n PRO 30 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcp h GLU 31 N 0.00 0.27 0.00 0.54 4.39 -1.92 -3.40 114.58 114.46 2kcp h GLU 31 Ca 0.00 -0.45 -0.24 0.00 0.34 0.00 0.00 59.36 59.01 2kcp h GLU 31 Cb 0.52 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2kcp h GLU 31 CO 0.00 1.22 -1.90 0.25 -1.16 0.00 0.00 179.01 177.42 2kcp n THR 32 N -4.11 0.90 -0.16 1.13 -2.24 -1.24 -5.03 114.28 103.53 2kcp n THR 32 Ca -0.17 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2kcp n THR 32 Cb 0.82 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 2kcp n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcp n GLY 33 N 2.25 0.91 3.86 3.38 0.00 0.69 -5.08 105.19 111.20 2kcp n GLY 33 Ca -0.22 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2kcp n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcp s LYS 34 N -0.48 3.92 -0.69 1.61 -2.85 -1.23 -4.83 119.74 115.20 2kcp s LYS 34 Ca 0.00 0.53 -0.16 0.00 -1.00 0.00 0.00 55.97 55.35 2kcp s LYS 34 Cb 0.00 -2.48 0.16 0.00 -2.06 0.00 0.00 37.83 33.45 2kcp s LYS 34 CO 0.00 0.17 0.67 0.08 0.10 0.00 0.00 175.35 176.37 2kcp s VAL 35 N -1.99 5.31 0.56 1.79 1.01 -1.26 -0.84 120.40 124.98 2kcp s VAL 35 Ca 0.52 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.65 2kcp s VAL 35 Cb -0.10 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.88 2kcp s VAL 35 CO 0.20 -1.00 0.78 -0.70 0.00 0.00 0.00 175.10 174.39 2kcp s GLU 36 N 1.17 2.52 -0.11 2.72 2.56 0.18 -4.88 118.70 122.86 2kcp s GLU 36 Ca 0.12 -0.77 0.02 0.00 0.00 0.00 0.00 54.97 54.33 2kcp s GLU 36 Cb -0.20 -2.48 0.02 0.00 2.00 0.00 0.00 34.13 33.47 2kcp s GLU 36 CO -0.02 -0.74 -0.15 0.42 -0.56 0.00 0.00 175.26 174.21 2kcp s ILE 37 N -2.78 1.51 0.30 -3.70 1.01 -1.26 0.10 121.20 116.38 2kcp s ILE 37 Ca 0.57 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.68 2kcp s ILE 37 Cb -0.10 -1.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 2kcp s ILE 37 CO 0.39 0.44 -0.12 0.00 0.00 0.00 0.00 174.94 175.65 2kcp s ALA 38 N 1.05 2.68 -0.22 9.38 0.00 -0.07 -4.93 121.76 129.65 2kcp s ALA 38 Ca -0.05 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 49.78 2kcp s ALA 38 Cb -0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2kcp s ALA 38 CO -0.03 0.10 0.47 -1.21 0.00 0.00 0.00 175.76 175.10 2kcp s GLU 39 N -3.61 4.15 -0.56 0.00 2.02 -1.26 -0.65 118.70 118.78 2kcp s GLU 39 Ca 0.30 0.31 -0.28 0.00 0.02 0.00 0.00 54.97 55.32 2kcp s GLU 39 Cb 0.00 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.68 2kcp s GLU 39 CO 0.14 -0.17 1.26 0.42 0.02 0.00 0.00 175.26 176.94 2kcp s ILE 40 N 1.71 3.96 -0.06 -1.63 1.01 -0.49 -3.00 121.20 122.69 2kcp s ILE 40 Ca 0.21 0.86 -0.03 0.00 0.00 0.00 0.00 60.65 61.69 2kcp s ILE 40 Cb -0.15 -4.62 -0.27 0.00 0.01 0.00 0.00 42.46 37.43 2kcp s ILE 40 CO 0.09 -1.26 0.59 0.03 0.00 0.00 0.00 174.94 174.39 2kcp h ARG 41 N 9.99 0.23 -4.88 2.79 3.08 -0.61 -3.45 114.38 121.54 2kcp h ARG 41 Ca -0.25 -0.40 -0.36 0.00 0.07 0.00 0.00 59.98 59.04 2kcp h ARG 41 Cb 1.07 0.15 -0.24 0.00 0.08 0.00 0.00 29.97 31.03 2kcp h ARG 41 CO 1.18 1.07 -0.76 -0.80 -1.07 0.00 0.00 179.97 179.59 2kcp s ASN 42 N -6.88 1.19 -0.02 7.04 0.01 -0.95 -5.00 114.94 110.33 2kcp s ASN 42 Ca -0.15 -0.45 0.17 0.00 -0.71 0.00 0.00 52.86 51.72 2kcp s ASN 42 Cb 0.07 -0.04 0.51 0.00 0.41 0.00 0.00 41.25 42.20 2kcp s ASN 42 CO 0.81 -0.06 1.43 1.33 -1.51 0.00 0.00 177.10 179.10 2kcp n VAL 43 N 1.84 1.13 -3.05 1.60 0.24 -1.26 -0.51 118.33 118.32 2kcp n VAL 43 Ca -0.19 -1.05 -0.39 0.00 -2.04 0.00 0.00 64.34 60.67 2kcp n VAL 43 Cb 0.55 0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp s VAL 44 N -1.15 4.47 0.45 3.34 0.11 -1.26 -4.79 120.40 121.56 2kcp s VAL 44 Ca 0.38 1.54 0.05 0.00 -2.93 0.00 0.00 61.98 61.03 2kcp s VAL 44 Cb 0.21 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 2kcp s VAL 44 CO 0.24 0.46 0.05 -1.83 -3.33 0.00 0.00 175.10 170.70 2kcp s GLU 45 N -1.32 2.08 -0.56 1.54 -1.05 -1.20 -4.30 118.70 113.90 2kcp s GLU 45 Ca 0.36 -2.15 -0.26 0.00 -0.15 0.00 0.00 54.97 52.77 2kcp s GLU 45 Cb -0.21 -1.69 -0.06 0.00 -0.44 0.00 0.00 34.13 31.74 2kcp s GLU 45 CO 0.24 -0.18 2.22 -0.80 0.95 0.00 0.00 175.26 177.69 2kcp s ASN 46 N -3.82 4.70 0.25 0.83 -0.87 -1.26 -4.88 114.94 109.88 2kcp s ASN 46 Ca 0.27 0.73 -0.22 0.00 -1.57 0.00 0.00 52.86 52.08 2kcp s ASN 46 Cb 0.06 -2.51 0.03 0.00 -0.02 0.00 0.00 41.25 38.81 2kcp s ASN 46 CO 0.15 -2.77 0.70 0.28 -2.57 0.00 0.00 177.10 172.88 2kcp s THR 47 N 11.27 0.00 -0.91 1.60 -1.32 -1.26 -5.03 115.64 119.98 2kcp s THR 47 Ca 0.86 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 2kcp s THR 47 Cb -0.15 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 2kcp s THR 47 CO 0.23 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 173.17 2kcp n ALA 48 N -0.44 2.47 -3.71 11.08 0.00 -1.26 -4.53 120.51 124.12 2kcp n ALA 48 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 2kcp n ALA 48 Cb 0.61 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 2kcp n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kcp s ASN 49 N 0.07 5.56 -0.11 0.00 0.01 -1.26 -4.94 114.94 114.27 2kcp s ASN 49 Ca 0.00 -3.56 -0.02 0.00 -0.71 0.00 0.00 52.86 48.57 2kcp s ASN 49 Cb 0.00 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 2kcp s ASN 49 CO 0.00 -0.20 -0.05 1.55 -1.51 0.00 0.00 177.10 176.89 2kcp h PRO 50 N 6.10 0.00 -0.48 -0.60 0.13 -1.97 -3.38 132.00 131.81 2kcp h PRO 50 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2kcp h PRO 50 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2kcp h PRO 50 CO 0.79 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.28 2kcp n HIS 51 N -4.73 0.60 -3.06 1.56 8.25 -1.26 -4.84 115.22 111.74 2kcp n HIS 51 Ca -0.02 -0.26 -0.41 0.00 -0.26 0.00 0.00 57.72 56.78 2kcp n HIS 51 Cb 0.07 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 2kcp n HIS 51 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2kcp s PHE 52 N -1.62 3.34 -1.58 4.41 0.40 -1.26 -4.94 117.98 116.74 2kcp s PHE 52 Ca 0.23 0.96 0.10 0.00 -0.60 0.00 0.00 56.93 57.63 2kcp s PHE 52 Cb 0.14 -2.87 0.36 0.00 0.51 0.00 0.00 43.02 41.16 2kcp s PHE 52 CO 0.13 -0.26 1.24 1.55 0.70 0.00 0.00 175.22 178.58 2kcp n VAL 53 N 4.92 0.79 -3.94 -0.44 3.14 -1.26 -4.90 118.33 116.63 2kcp n VAL 53 Ca 0.00 -0.57 -0.22 0.00 -2.96 0.00 0.00 64.34 60.59 2kcp n VAL 53 Cb 0.49 0.06 -0.01 0.00 -1.06 0.00 0.00 33.84 33.32 2kcp n VAL 53 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2kcp n ARG 54 N 0.52 0.85 0.00 1.45 1.74 -1.26 -4.59 116.66 115.38 2kcp n ARG 54 Ca 0.13 -2.86 0.00 0.00 -0.77 0.00 0.00 57.85 54.36 2kcp n ARG 54 Cb 0.45 0.38 0.00 0.00 -1.02 0.00 0.00 32.46 32.27 2kcp n ARG 54 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kcp n ARG 55 N -1.48 0.00 0.18 5.56 0.00 -1.26 -4.88 116.66 114.79 2kcp n ARG 55 Ca -0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.90 2kcp n ARG 55 Cb 0.52 -1.66 0.21 0.00 0.00 0.00 0.00 32.46 31.53 2kcp n ARG 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2kcp h ASN 56 N 0.00 0.00 -1.85 6.15 4.21 -1.88 -3.41 115.58 118.80 2kcp h ASN 56 Ca 0.00 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.85 2kcp h ASN 56 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 2kcp h ASN 56 CO 0.00 0.00 1.03 -0.38 -1.29 0.00 0.00 177.43 176.79 2kcp n ILE 57 N -2.77 0.48 -2.47 2.81 5.41 -1.26 -4.93 119.36 116.62 2kcp n ILE 57 Ca 0.06 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.31 2kcp n ILE 57 Cb 1.07 -1.63 -0.03 0.00 -0.71 0.00 0.00 39.64 38.34 2kcp n ILE 57 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2kcp s ILE 58 N 3.86 4.05 0.29 1.39 -1.09 -1.26 -5.03 121.20 123.40 2kcp s ILE 58 Ca 0.95 1.55 -0.06 0.00 -2.23 0.00 0.00 60.65 60.86 2kcp s ILE 58 Cb -0.83 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.05 2kcp s ILE 58 CO 0.57 0.16 0.41 0.28 -1.23 0.00 0.00 174.94 175.13 2kcp s THR 59 N 0.67 0.00 -0.15 2.92 -1.32 -1.26 -4.75 115.64 111.75 2kcp s THR 59 Ca 0.55 -1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 59.13 2kcp s THR 59 Cb -0.29 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.21 2kcp s THR 59 CO 0.31 0.00 1.44 -0.60 -2.21 0.00 0.00 174.62 173.56 2kcp s ARG 60 N -3.58 4.12 0.00 7.08 3.52 -1.26 -2.51 118.95 126.32 2kcp s ARG 60 Ca 0.29 1.78 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 2kcp s ARG 60 Cb 0.01 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2kcp s ARG 60 CO 0.15 -0.88 0.00 0.41 -0.81 0.00 0.00 175.30 174.17 2kcp n GLY 61 N 4.00 1.79 3.79 8.12 0.00 0.00 -5.01 105.19 117.88 2kcp n GLY 61 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2kcp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcp s ALA 62 N -2.24 3.37 -0.06 4.61 0.00 -1.04 -4.75 121.76 121.64 2kcp s ALA 62 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 2kcp s ALA 62 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2kcp s ALA 62 CO 0.00 0.26 0.22 0.08 0.00 0.00 0.00 175.76 176.33 2kcp s VAL 63 N -1.37 5.36 0.38 0.00 1.01 -1.26 -0.84 120.40 123.68 2kcp s VAL 63 Ca 0.42 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.76 2kcp s VAL 63 Cb -0.21 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2kcp s VAL 63 CO 0.25 0.55 0.07 0.68 0.00 0.00 0.00 175.10 176.64 2kcp s VAL 64 N -1.10 1.12 -0.11 2.92 -7.23 0.37 -3.27 120.40 113.09 2kcp s VAL 64 Ca 0.20 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2kcp s VAL 64 Cb -0.13 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2kcp s VAL 64 CO 0.09 0.00 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.08 2kcp s GLU 65 N -3.82 3.19 0.36 4.82 2.12 0.33 -1.23 118.70 124.48 2kcp s GLU 65 Ca 0.29 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 55.04 2kcp s GLU 65 Cb 0.06 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 2kcp s GLU 65 CO 0.14 0.36 0.21 0.95 -0.54 0.00 0.00 175.26 176.38 2kcp s THR 66 N -0.02 0.24 -0.51 -1.70 -4.23 0.20 0.15 115.64 109.78 2kcp s THR 66 Ca -0.02 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.72 2kcp s THR 66 Cb -0.14 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 71.52 2kcp s THR 66 CO 0.04 0.00 1.70 -0.46 -0.54 0.00 0.00 174.62 175.35 2kcp n ASN 67 N -1.42 0.63 0.00 3.99 6.94 -1.16 -2.28 115.26 121.96 2kcp n ASN 67 Ca 0.01 0.66 0.11 0.00 -0.02 0.00 0.00 54.58 55.34 2kcp n ASN 67 Cb 0.63 -0.79 -0.12 0.00 -2.36 0.00 0.00 39.78 37.14 2kcp n ASN 67 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2kcp n LEU 68 N -2.20 0.35 0.00 -4.53 4.77 -1.26 -5.06 117.00 109.07 2kcp n LEU 68 Ca 0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2kcp n LEU 68 Cb 0.23 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2kcp n LEU 68 CO 0.19 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2kcp n GLY 69 N 1.32 0.64 3.88 -0.72 0.00 -0.97 -5.02 105.19 104.33 2kcp n GLY 69 Ca -0.01 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 6.56 -0.06 1.61 -0.87 -0.47 0.59 114.94 118.31 2kcp s ASN 70 Ca 0.00 0.72 0.01 0.00 -1.57 0.00 0.00 52.86 52.01 2kcp s ASN 70 Cb 0.00 -2.14 0.02 0.00 -0.02 0.00 0.00 41.25 39.11 2kcp s ASN 70 CO 0.00 0.06 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.86 2kcp s VAL 71 N -1.61 0.58 -0.33 1.60 1.01 -0.37 -0.04 120.40 121.23 2kcp s VAL 71 Ca 0.40 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 2kcp s VAL 71 Cb -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2kcp s VAL 71 CO 0.22 0.25 0.39 -0.60 0.00 0.00 0.00 175.10 175.36 2kcp s ARG 72 N 1.16 3.64 0.14 2.72 3.52 -0.53 -0.48 118.95 129.12 2kcp s ARG 72 Ca -0.07 -0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 54.92 2kcp s ARG 72 Cb -0.14 -3.78 -0.10 0.00 -1.56 0.00 0.00 34.95 29.37 2kcp s ARG 72 CO -0.01 -0.51 1.73 0.08 -0.81 0.00 0.00 175.30 175.78 2kcp s VAL 73 N 2.10 2.52 -0.25 7.11 1.01 -0.02 -0.82 120.40 132.05 2kcp s VAL 73 Ca 0.14 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2kcp s VAL 73 Cb -0.16 -3.12 -0.16 0.00 0.00 0.00 0.00 36.38 32.95 2kcp s VAL 73 CO 0.12 0.01 -0.24 0.35 0.00 0.00 0.00 175.10 175.34 2kcp n THR 74 N 4.45 1.42 -3.17 3.92 -2.24 0.38 -0.82 114.28 118.23 2kcp n THR 74 Ca 0.16 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.22 2kcp n THR 74 Cb 0.38 -1.44 0.05 0.00 -2.10 0.00 0.00 70.33 67.22 2kcp n THR 74 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kcp s SER 75 N -6.53 5.03 -0.30 3.42 0.01 -1.22 -4.82 113.70 109.28 2kcp s SER 75 Ca -0.34 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 55.79 2kcp s SER 75 Cb 0.09 0.33 -0.00 0.00 0.21 0.00 0.00 66.02 66.65 2kcp s SER 75 CO 0.56 -1.31 0.71 -0.13 0.41 0.00 0.00 173.24 173.48 2kcp s ARG 76 N -4.61 3.94 0.38 12.44 1.81 -1.26 -4.22 118.95 127.43 2kcp s ARG 76 Ca 0.58 0.46 -0.27 0.00 -1.72 0.00 0.00 55.73 54.77 2kcp s ARG 76 Cb -0.05 -3.73 -0.10 0.00 -0.45 0.00 0.00 34.95 30.62 2kcp s ARG 76 CO 0.36 -0.62 1.40 -2.14 -0.68 0.00 0.00 175.30 173.62 2kcp s PRO 77 N 2.79 4.07 0.00 3.54 0.02 -1.26 -3.19 135.00 140.96 2kcp s PRO 77 Ca 0.29 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2kcp s PRO 77 Cb -0.15 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2kcp s PRO 77 CO 0.12 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 2kcp n GLY 78 N 0.60 2.28 0.00 0.52 0.00 -1.26 -4.90 105.19 102.42 2kcp n GLY 78 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2kcp n GLY 78 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kcp n GLN 79 N 0.00 0.00 0.08 1.61 0.00 -1.19 -1.80 117.38 116.07 2kcp n GLN 79 Ca 0.00 0.62 0.13 0.00 -0.00 0.00 0.00 57.00 57.75 2kcp n GLN 79 Cb 0.00 -1.25 0.46 0.00 0.00 0.00 0.00 30.24 29.45 2kcp n GLN 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kcp n ASP 80 N -1.80 0.57 0.00 1.69 2.03 -1.26 -4.92 116.55 112.85 2kcp n ASP 80 Ca 0.00 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2kcp n ASP 80 Cb 0.00 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcp n GLY 81 N 1.18 2.67 3.79 0.27 0.00 -0.74 -5.06 105.19 107.30 2kcp n GLY 81 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2kcp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcp s VAL 82 N -2.65 4.79 -0.02 1.61 0.11 -1.26 -4.54 120.40 118.44 2kcp s VAL 82 Ca 0.00 -0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 58.65 2kcp s VAL 82 Cb 0.00 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.62 2kcp s VAL 82 CO 0.00 0.35 0.11 -0.63 -3.33 0.00 0.00 175.10 171.61 2kcp s ILE 83 N -1.20 4.98 0.11 7.04 1.01 -1.26 -4.50 121.20 127.37 2kcp s ILE 83 Ca 0.23 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.67 2kcp s ILE 83 Cb -0.12 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2kcp s ILE 83 CO 0.14 0.37 -0.18 0.20 0.00 0.00 0.00 174.94 175.47 2kcp s ASN 84 N -1.71 2.28 0.18 3.58 -0.87 -1.26 -0.34 114.94 116.81 2kcp s ASN 84 Ca 0.23 -0.71 -0.23 0.00 -1.57 0.00 0.00 52.86 50.59 2kcp s ASN 84 Cb -0.12 -0.11 0.07 0.00 -0.02 0.00 0.00 41.25 41.07 2kcp s ASN 84 CO 0.14 -0.01 1.01 -0.83 -2.57 0.00 0.00 177.10 174.84 2kcp s GLY 85 N -2.03 0.01 -0.05 0.66 0.00 -0.08 -0.47 107.32 105.35 2kcp s GLY 85 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 2kcp s GLY 85 CO 0.04 1.44 0.02 0.14 0.00 0.00 0.00 173.10 174.75 2kcp s VAL 86 N -2.53 4.42 -0.32 1.40 1.01 0.00 -0.01 120.40 124.36 2kcp s VAL 86 Ca 0.18 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2kcp s VAL 86 Cb -0.02 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2kcp s VAL 86 CO 0.05 0.51 1.28 -0.22 0.00 0.00 0.00 175.10 176.71 2kcp s LEU 87 N -1.21 3.84 0.39 3.92 2.96 -0.12 -1.46 118.68 127.01 2kcp s LEU 87 Ca 0.17 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 2kcp s LEU 87 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2kcp s LEU 87 CO 0.06 -1.11 0.19 0.27 -1.32 0.00 0.00 176.35 174.44 2kcp s ILE 88 N 4.42 0.35 -0.06 6.68 -4.36 0.94 -4.47 121.20 124.70 2kcp s ILE 88 Ca 0.55 -2.00 0.25 0.00 -0.26 0.00 0.00 60.65 59.19 2kcp s ILE 88 Cb -0.15 -2.36 0.45 0.00 1.25 0.00 0.00 42.46 41.64 2kcp s ILE 88 CO 0.24 0.00 1.16 0.54 0.24 0.00 0.00 174.94 177.12 2kcp n ARG 89 N -0.84 0.43 0.23 0.37 5.12 -1.26 -1.36 116.66 119.35 2kcp n ARG 89 Ca -0.02 -2.37 -0.15 0.00 -1.93 0.00 0.00 57.85 53.39 2kcp n ARG 89 Cb 0.64 -0.40 -0.08 0.00 -1.16 0.00 0.00 32.46 31.46 2kcp n ARG 89 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2kcp h GLU 90 N 1.34 -0.51 -7.01 5.56 5.08 -1.95 -3.41 114.58 113.68 2kcp h GLU 90 Ca -0.20 0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.66 2kcp h GLU 90 Cb 1.74 0.12 0.10 0.00 0.50 0.00 0.00 28.75 31.21 2kcp h GLU 90 CO 0.12 -0.34 0.57 -0.51 -1.00 0.00 0.00 179.01 177.85 2kcp s LEU 91 N -10.12 3.97 -0.61 1.33 1.43 -1.26 -4.81 118.68 108.61 2kcp s LEU 91 Ca -0.16 2.58 -0.26 0.00 -1.03 0.00 0.00 54.13 55.27 2kcp s LEU 91 Cb 0.05 -4.20 -0.10 0.00 0.03 0.00 0.00 46.19 41.97 2kcp s LEU 91 CO 0.64 -1.21 2.43 1.21 0.23 0.00 0.00 176.35 179.64 2kcp n GLU 92 N -0.63 0.84 -3.45 1.70 0.00 -1.26 -4.85 120.64 112.98 2kcp n GLU 92 Ca 0.08 -0.25 -0.22 0.00 0.00 0.00 0.00 57.16 56.77 2kcp n GLU 92 Cb 0.46 -3.40 -0.12 0.00 0.00 0.00 0.00 31.44 28.38 2kcp n GLU 92 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2kcp s HIS 93 N 12.68 -0.10 -0.12 4.31 3.76 -1.26 -5.12 115.29 129.43 2kcp s HIS 93 Ca 0.99 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 55.06 2kcp s HIS 93 Cb -0.22 -0.65 -0.05 0.00 1.11 0.00 0.00 32.58 32.77 2kcp s HIS 93 CO 0.22 -0.89 1.87 -1.01 -0.85 0.00 0.00 174.74 174.09 2kcp s HIS 94 N 2.15 1.62 -0.22 1.40 3.76 -1.26 -4.85 115.29 117.89 2kcp s HIS 94 Ca 0.10 0.19 0.29 0.00 -0.15 0.00 0.00 55.06 55.49 2kcp s HIS 94 Cb -0.15 -4.04 1.12 0.00 1.11 0.00 0.00 32.58 30.62 2kcp s HIS 94 CO -0.31 -4.13 1.84 1.12 -0.85 0.00 0.00 174.74 172.41 2kcp h HIS 95 N 11.55 0.00 -3.32 1.40 2.07 -1.98 -3.41 115.15 121.46 2kcp h HIS 95 Ca -0.41 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.62 2kcp h HIS 95 Cb 1.20 0.00 -0.35 0.00 2.57 0.00 0.00 27.41 30.83 2kcp h HIS 95 CO 0.93 0.00 -0.80 -1.58 -3.07 0.00 0.00 177.93 173.41 2kcp s HIS 96 N -3.47 1.24 0.18 6.12 5.65 -1.26 -5.12 115.29 118.64 2kcp s HIS 96 Ca 0.03 -0.51 -0.33 0.00 0.25 0.00 0.00 55.06 54.50 2kcp s HIS 96 Cb 0.09 -1.02 -0.14 0.00 -1.18 0.00 0.00 32.58 30.33 2kcp s HIS 96 CO 0.49 -0.35 1.49 0.72 -0.65 0.00 0.00 174.74 176.44 2kcp n HIS 97 N 4.40 2.14 0.27 3.88 -0.00 -1.26 -5.20 115.22 119.45 2kcp n HIS 97 Ca -0.18 0.37 0.02 0.00 -0.00 0.00 0.00 57.72 57.93 2kcp n HIS 97 Cb 0.51 -2.49 0.13 0.00 -0.00 0.00 0.00 29.99 28.14 2kcp n HIS 97 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95